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Back ChemicalBook Home>CAS DataBase List>111-77-3More Spectrum> Diethylene glycol monomethyl ether(111-77-3) IR1

Diethylene glycol monomethyl ether(111-77-3) IR1

Molecular FormulaC5H12O3

Molecular Weight120.15

InChIInChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

InChIKey SBASXUCJHJRPEV-UHFFFAOYSA-N

SmilesC(O)COCCOC


  • Mass

    MS-NW-5525          
    3,6-dioxa-1-heptanol
    C5H12O3             (Mass of molecular ion:    120)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0      10.1
          19.0       3.2
          26.0       1.3
          27.0       7.1
          28.0       5.3
          29.0      12.5
          31.0      20.5
          33.0       1.7
          42.0       1.3
          43.0      10.4
          44.0       4.7
          45.0     100.0
          46.0       2.5
          58.0      22.3
          59.0      46.1
          60.0       5.8
          75.0      11.2
          87.0       1.8
          89.0      12.4
          90.0      14.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H12 O3 0.04 ml : 0.5 ml CDCl3
    3,6-dioxa-1-heptanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.82 to 3.47 B 3.394 C 3.13

         Hz     ppm     Int.
    

        338.44   3.779     31
        337.06   3.764     34
        335.25   3.744     44
        334.38   3.734     65
        333.25   3.721     61
        331.75   3.705     74
        331.00   3.696    122
        330.25   3.688    150
        327.75   3.660     62
        326.44   3.645    190
        325.69   3.637    138
        325.13   3.631    176
        324.50   3.624    159
        323.50   3.613     88
        322.50   3.601    183
        322.00   3.596    148
        320.69   3.581     88
        319.38   3.567     63
        318.31   3.555     42
        317.44   3.545     41
        315.13   3.519     36
        303.94   3.394   1000
        280.56   3.133    303
    

in CDCl3



CCl4 solution



liquid film



4880 A,150M,liquid



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